SCHEMBL2682292

SCHEMBL2682292

CCOC(=O)c1ccc(C#Cc2ccc3c(c2)C(C)(C)C[C@H](OC(=O)c2cccnc2)S3)nc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.62
CYP3A4 P08684 3/20 0.62
RARA P10276 2/20 0.62
RARB P10826 2/20 0.62
RARG P13631 2/20 0.62
CYP26A1 O43174 1/20 0.47
ALDH1A1 P00352 6/20 0.37
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.36
LMNA P02545 4/20 0.36
GRM5 P41594 1/20 0.35
MEN1 O00255 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
HPGD P15428 2/20 0.35
TP53 P04637 2/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
AGTR1 P30556 1/20 0.34
CYP2C19 P33261 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2681445 1.00 KMT2A (0.62) KMT2ACYP3A4RARARARBRARG
SCHEMBL2681448 1.00 KMT2A (0.62) KMT2ACYP3A4RARARARBRARG
SCHEMBL6368898 1.00 KMT2A (0.62) KMT2ACYP3A4RARARARBRARG
SCHEMBL6369391 0.93 CYP3A4 (0.65) KMT2ACYP3A4RARARARBRARG
SCHEMBL6368926 0.93 CYP3A4 (0.65) KMT2ACYP3A4RARARARBRARG
SCHEMBL6369204 0.93 CYP3A4 (0.65) KMT2ACYP3A4RARARARBRARG
SCHEMBL2682763 0.89 RARA (0.68) KMT2ACYP3A4RARARARBRARG
SCHEMBL6369431 0.88 RARA (0.67) KMT2ACYP3A4RARARARBRARG
SCHEMBL995126 0.87 RARA (0.66) KMT2ACYP3A4RARARARBRARG
SCHEMBL2683146 0.87 RARA (0.66) KMT2ACYP3A4RARARARBRARG

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140357669-A1 TAZAROTENE DERIVATIVES STIEFEL LABORATORIES, INC. 2014-12-04 US claimed
US-20120115909-A1 TAZAROTENE DERIVATIVES STIEFEL LABORATORIES, INC. 2012-05-10 US claimed
US-9062037-B2 Tazarotene derivatives STIEFEL LABORATORIES, INC. (US) 2015-06-23 US disclosed
US-9062037-B2 Tazarotene derivatives STIEFEL LABORATORIES, INC. (US) 2015-06-23 US disclosed
US-9062037-B2 Tazarotene derivatives STIEFEL LABORATORIES, INC. (US) 2015-06-23 US disclosed
US-20140357672-A1 TAZAROTENE DERIVATIVES STIEFEL LABORATORIES, INC. 2014-12-04 US disclosed
US-20140357669-A1 TAZAROTENE DERIVATIVES STIEFEL LABORATORIES, INC. 2014-12-04 US disclosed
US-20140357672-A1 TAZAROTENE DERIVATIVES STIEFEL LABORATORIES, INC. 2014-12-04 US disclosed
US-20140357672-A1 TAZAROTENE DERIVATIVES STIEFEL LABORATORIES, INC. 2014-12-04 US disclosed
US-20140357669-A1 TAZAROTENE DERIVATIVES STIEFEL LABORATORIES, INC. 2014-12-04 US disclosed
US-20140357669-A1 TAZAROTENE DERIVATIVES STIEFEL LABORATORIES, INC. 2014-12-04 US disclosed
US-20120115909-A1 TAZAROTENE DERIVATIVES STIEFEL LABORATORIES, INC. 2012-05-10 US disclosed
US-20120115909-A1 TAZAROTENE DERIVATIVES STIEFEL LABORATORIES, INC. 2012-05-10 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140357672-A1 TAZAROTENE DERIVATIVES RXRA, RARA, RXRB KMT2A 1735/4885CYP3A4 1033/4885RARA 2/4885
US-20140357669-A1 TAZAROTENE DERIVATIVES RXRA, RARA, RXRB KMT2A 1735/4885CYP3A4 1033/4885RARA 2/4885
US-20120115909-A1 TAZAROTENE DERIVATIVES RXRA, RARA, RXRB KMT2A 1735/4885CYP3A4 1033/4885RARA 2/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.